2-Butenoic acid, 2-methyl-, 2,3,3a,4,4a,5,6,7,7a,9a-decahydro-5-hydroxy-3,5,8-trimethyl-2-oxoazuleno(6,5-b)furan-6-yl ester, (3S-(3alpha,3abeta,4abeta,5beta,6beta(E),7abeta,9abeta))-
TL;DR: 2-Butenoic acid, 2-methyl-, 2,3,3a,4,4a,5,6,7,7a,9a-decahydro-5-hydroxy-3,5,8-trimethyl-2-oxoazuleno(6,5-b)furan-6-yl ester, (3S-(3alpha,3abeta,4abeta,5beta,6beta(E),7abeta,9abeta))- (CAS 79236-46-7) is a chemical compound with molecular formula C20H28O5 and molecular weight 348.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S,3aS,5aR,7R,8R,8aR,9aR)-8-hydroxy-1,5,8-trimethyl-2-oxo-1,3a,5a,6,7,8a,9,9a-octahydroazuleno[6,5-b]furan-7-yl] (E)-2-methylbut-2-enoate
Also Known As: 2-Butenoic acid, 2-methyl-, 2,3,3a,4,4a,5,6,7,7a,9a-decahydro-5-hydroxy-3,5,8-trimethyl-2-oxoazuleno(6,5-b)furan-6-yl ester, (3S-(3alpha,3abeta,4abeta,5beta,6beta(E),7abeta,9abeta))-, [(1S,3aS,5aR,7R,8R,8aR,9aR)-8-hydroxy-1,5,8-trimethyl-2-oxo-1,3a,5a,6,7,8a,9,9a-octahydroazuleno[6,5-b]furan-7-yl] (E)-2-methylbut-2-enoate
| Molecular Formula | C20H28O5 |
|---|---|
| Molecular Weight | 348.19 g/mol |
| LogP | 2.7792 |
| Topological Polar Surface Area | 72.83 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 348.19366 |
| Heavy Atoms | 25 |
| Complexity | 644.4719 |
Chemical Identifiers
| CAS Number | 79236-46-7 |
|---|---|
| SMILES | C/C=C(\C)/C(=O)O[C@@H]1C[C@@H]2[C@H]([C@@]1(C)O)C[C@@H]3[C@@H](C(=O)O[C@@H]3C=C2C)C |
Product Overview
2-Butenoic acid, 2-methyl-, 2,3,3a,4,4a,5,6,7,7a,9a-decahydro-5-hydroxy-3,5,8-trimethyl-2-oxoazuleno(6,5-b)furan-6-yl ester, (3S-(3alpha,3abeta,4abeta,5beta,6beta(E),7abeta,9abeta))- (CAS 79236-46-7), with molecular formula C20H28O5 and molecular weight 348.19 g/mol. IUPAC: [(1S,3aS,5aR,7R,8R,8aR,9aR)-8-hydroxy-1,5,8-trimethyl-2-oxo-1,3a,5a,6,7,8a,9,9a-octahydroazuleno[6,5-b]furan-7-yl] (E)-2-methylbut-2-enoate.
Chemical Property Profile of 2-Butenoic acid, 2-methyl-, 2,3,3a,4,4a,5,6,7,7a,9a-decahydro-5-hydroxy-3,5,8-trimethyl-2-oxoazuleno(6,5-b)furan-6-yl ester, (3S-(3alpha,3abeta,4abeta,5beta,6beta(E),7abeta,9abeta))-
Property Insights of 2-Butenoic acid, 2-methyl-, 2,3,3a,4,4a,5,6,7,7a,9a-decahydro-5-hydroxy-3,5,8-trimethyl-2-oxoazuleno(6,5-b)furan-6-yl ester, (3S-(3alpha,3abeta,4abeta,5beta,6beta(E),7abeta,9abeta))-
The XLogP value of 2.7792 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Butenoic acid, 2-methyl-, 2,3,3a,4,4a,5,6,7,7a,9a-decahydro-5-hydroxy-3,5,8-trimethyl-2-oxoazuleno(6,5-b)furan-6-yl ester, (3S-(3alpha,3abeta,4abeta,5beta,6beta(E),7abeta,9abeta))-. The TPSA of 72.83 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Butenoic acid, 2-methyl-, 2,3,3a,4,4a,5,6,7,7a,9a-decahydro-5-hydroxy-3,5,8-trimethyl-2-oxoazuleno(6,5-b)furan-6-yl ester, (3S-(3alpha,3abeta,4abeta,5beta,6beta(E),7abeta,9abeta))-. Following Lipinski's Rule of Five, 2-Butenoic acid, 2-methyl-, 2,3,3a,4,4a,5,6,7,7a,9a-decahydro-5-hydroxy-3,5,8-trimethyl-2-oxoazuleno(6,5-b)furan-6-yl ester, (3S-(3alpha,3abeta,4abeta,5beta,6beta(E),7abeta,9abeta))- has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-Butenoic acid, 2-methyl-, 2,3,3a,4,4a,5,6,7,7a,9a-decahydro-5-hydroxy-3,5,8-trimethyl-2-oxoazuleno(6,5-b)furan-6-yl ester, (3S-(3alpha,3abeta,4abeta,5beta,6beta(E),7abeta,9abeta))-?
The CAS number of 2-Butenoic acid, 2-methyl-, 2,3,3a,4,4a,5,6,7,7a,9a-decahydro-5-hydroxy-3,5,8-trimethyl-2-oxoazuleno(6,5-b)furan-6-yl ester, (3S-(3alpha,3abeta,4abeta,5beta,6beta(E),7abeta,9abeta))- is 79236-46-7.
What is the molecular formula of 2-Butenoic acid, 2-methyl-, 2,3,3a,4,4a,5,6,7,7a,9a-decahydro-5-hydroxy-3,5,8-trimethyl-2-oxoazuleno(6,5-b)furan-6-yl ester, (3S-(3alpha,3abeta,4abeta,5beta,6beta(E),7abeta,9abeta))-?
The molecular formula of 2-Butenoic acid, 2-methyl-, 2,3,3a,4,4a,5,6,7,7a,9a-decahydro-5-hydroxy-3,5,8-trimethyl-2-oxoazuleno(6,5-b)furan-6-yl ester, (3S-(3alpha,3abeta,4abeta,5beta,6beta(E),7abeta,9abeta))- is C20H28O5.
What is the molecular weight of 2-Butenoic acid, 2-methyl-, 2,3,3a,4,4a,5,6,7,7a,9a-decahydro-5-hydroxy-3,5,8-trimethyl-2-oxoazuleno(6,5-b)furan-6-yl ester, (3S-(3alpha,3abeta,4abeta,5beta,6beta(E),7abeta,9abeta))-?
The molecular weight of 2-Butenoic acid, 2-methyl-, 2,3,3a,4,4a,5,6,7,7a,9a-decahydro-5-hydroxy-3,5,8-trimethyl-2-oxoazuleno(6,5-b)furan-6-yl ester, (3S-(3alpha,3abeta,4abeta,5beta,6beta(E),7abeta,9abeta))- is 348.19 g/mol.
Where can I buy 2-Butenoic acid, 2-methyl-, 2,3,3a,4,4a,5,6,7,7a,9a-decahydro-5-hydroxy-3,5,8-trimethyl-2-oxoazuleno(6,5-b)furan-6-yl ester, (3S-(3alpha,3abeta,4abeta,5beta,6beta(E),7abeta,9abeta))-?
You can request a quote for 2-Butenoic acid, 2-methyl-, 2,3,3a,4,4a,5,6,7,7a,9a-decahydro-5-hydroxy-3,5,8-trimethyl-2-oxoazuleno(6,5-b)furan-6-yl ester, (3S-(3alpha,3abeta,4abeta,5beta,6beta(E),7abeta,9abeta))- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Butenoic acid, 2-methyl-, 2,3,3a,4,4a,5,6,7,7a,9a-decahydro-5-hydroxy-3,5,8-trimethyl-2-oxoazuleno(6,5-b)furan-6-yl ester, (3S-(3alpha,3abeta,4abeta,5beta,6beta(E),7abeta,9abeta))-?
Yes, KEHONG BIO provides custom synthesis services for 2-Butenoic acid, 2-methyl-, 2,3,3a,4,4a,5,6,7,7a,9a-decahydro-5-hydroxy-3,5,8-trimethyl-2-oxoazuleno(6,5-b)furan-6-yl ester, (3S-(3alpha,3abeta,4abeta,5beta,6beta(E),7abeta,9abeta))- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.